SCHEMBL23228751

SCHEMBL23228751

COCCCCOc1ccccc1C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.65
SLC6A2 P23975 14/20 0.61
SLC6A4 P31645 14/20 0.61
HTR1A P08908 13/20 0.61
SLC6A3 Q01959 11/20 0.61
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23228665 0.93 HTR2C (0.67) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL11827483 0.87 SLC6A2 (0.62) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL6926596 0.85 SLC6A2 (0.64) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL5669748 0.81 SLC6A2 (0.68) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4142513 0.81 HTR1A (0.59) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL23228697 0.80 SLC6A2 (0.58) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL23228623 0.79 SLC6A2 (0.61) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL330081 0.79 HTR2C (1.00) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29891667 0.79 HTR2C (1.00) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL23228766 0.78 SLC6A2 (0.59) HTR2CSLC6A2SLC6A4HTR1ASLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed